N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide

C14H20N2O4S — CID 94779348

IUPACN-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide
SMILESCCC(=O)c1ccc(S(=O)(=O)NCCCNC(C)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-14(18)12-5-7-13(8-6-12)21(19,20)16-10-4-9-15-11(2)17/h5-8,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyJAGAWKCFOCAXEF-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.08
Rot. Bonds8

About N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide

N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide (PubChem CID 94779348) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide
PubChem CID94779348
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide
SMILESCCC(=O)c1ccc(S(=O)(=O)NCCCNC(C)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-14(18)12-5-7-13(8-6-12)21(19,20)16-10-4-9-15-11(2)17/h5-8,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyJAGAWKCFOCAXEF-UHFFFAOYSA-N
XLogP1.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-(butylsulfamoyl)benzoyl chloride
CID 91736822
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide?
The IUPAC name of N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide (CID 94779348) is N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide?
The canonical SMILES for N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide is CCC(=O)c1ccc(S(=O)(=O)NCCCNC(C)=O)cc1.
What is the InChIKey of N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide?
The InChIKey is JAGAWKCFOCAXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-14(18)12-5-7-13(8-6-12)21(19,20)16-10-4-9-15-11(2)17/h5-8,16H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide?
N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide is sourced from PubChem (CID 94779348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).